N-[(1R,9S)-6-Oxo-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-propanesulfonamide

Systematic / IUPAC Name: N-[(1R,9S)-6-Oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]propane-1-sulfonamide

ID: Reference12888

Other Names: NAT11-274923

Formula: C22H27N3O5S

Spectral Data

N-[(1R,9S)-6-Oxo-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-propanesulfonamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1194
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2023 8:58:05 AM
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Identificators

InChI InChI=1S/C22H27N3O5S/c1-2-10-31(28,29)23-19-8-9-20-17-11-16(13-25(20)22(19)27)12-24(14-17)21(26)15-30-18-6-4-3-5-7-18/h3-9,16-17,23H,2,10-15H2,1H3/t16-,17+/m0/s1
InChI Key AYEBOGCUOXUQMK-DLBZAZTESA-N
Canonical SMILES CCCS(=O)(=O)NC1=CC=C2C3CC(CN(C3)C(=O)COC4=CC=CC=C4)CN2C1=O
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Other Names NAT11-274923

In Other Databases

PubChem 11867161
ChemSpider 10041494